2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylamino)morpholin-2-yl]sulfanyl-octanoic acid

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylamino)morpholin-2-yl]sulfanyl-octanoic acid Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[4-(methylamino)morpholin-2-yl]sulfanyl-octanoic acid CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-3-[[4-(methylamino)-2-morpholinyl]thio]octanoic acid IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-3-[4-(methylamino)morpholin-2-yl]sulfanyloctanoic acid Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-3-[[4-(methylamino)morpholin-2-yl]thio]caprylic acid Formula: C25H36N2O4S MolecularWeight: 460.62934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SC3CN(CCO3)NC

Isomeric SMILES

CCCCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SC3CN(CCO3)NC

InChI

InChI=1S/C25H36N2O4S/c1-5-6-7-8-22(32-23-17-27(26-3)13-14-31-23)25(2,24(28)29)20-11-9-19-16-21(30-4)12-10-18(19)15-20/h9-12,15-16,22-23,26H,5-8,13-14,17H2,1-4H3,(H,28,29)